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Jorumycin

AlkaPlorer ID: AK009275

Synonym: 'Jorumycin', '(-)-Jorumycin'

IUPAC Name: [(1R,2S,10R,12S,13S)-12-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl acetate

Structure

SMILES: COC1=C(C)C(=O)C2=C(C1=O)[C@@H]1[C@@H]3CC4=C(C(=O)C(OC)=C(C)C4=O)[C@H](COC(C)=O)N3[C@@H](O)[C@H](C2)N1C

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InChI: InChI=1S/C27H30N2O9/c1-10-21(31)13-7-15-20-19-14(22(32)11(2)26(37-6)24(19)34)8-16(28(20)4)27(35)29(15)17(9-38-12(3)30)18(13)23(33)25(10)36-5/h15-17,20,27,35H,7-9H2,1-6H3/t15-,16-,17-,20-,27-/m0/s1

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InChIKey: QCUVHQFXYHRYHX-PIHYCAAOSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Jorunna funebris Jorunna Discodorididae Nudibranchia Gastropoda Mollusca Metazoa Eukaryota

Properties Information

Molecule Weight: 526.5420000000003

TPSA？: 139.75000000000003

MolLogP？: 0.1347000000000027

Number of H-Donors: 1

Number of H-Acceptors: 11

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens A549 GI50 19.2 nM 10.1016/j.bmcl.2006.03.042
Homo sapiens A549 IC50 0.0125 ug.mL-1 10.1016/j.ejmech.2020.113092
Homo sapiens DU-145 IC50 0.49 nM 10.1016/j.ejmech.2020.113092
Homo sapiens HCT-116 Activity nan None 10.1016/j.bmc.2009.05.009
Homo sapiens HCT-116 GI50 1.9 nM 10.1016/j.bmcl.2006.03.042
Homo sapiens HCT-116 IC50 0.57 nM 10.1016/j.ejmech.2020.113092
Homo sapiens HT-29 IC50 0.0125 ug.mL-1 10.1016/j.ejmech.2020.113092
Homo sapiens Melanoma cell line IC50 0.0125 ug.mL-1 10.1016/j.ejmech.2020.113092
Homo sapiens QG-56 Activity nan None 10.1016/j.bmc.2009.05.009
Homo sapiens QG-56 IC50 0.76 nM 10.1016/j.ejmech.2020.113092
Mus musculus NIH3T3 Inhibition 100.0 % 10.1016/j.ejmech.2020.113092
Mus musculus P388 IC50 0.0125 ug.mL-1 10.1016/j.ejmech.2020.113092

Metabolism Information